Aluminum Deoxidation Equilibria in Liquid Iron: Part II. Thermodynamic Modeling

摘要: Al deoxidation equilibria in liquid iron over the whole composition range from very low ([pct Al] = 0.0027) to almost pure were thermodynamically modeled for first time using Modified Quasichemical Model pair approximation phase. The present modeling is distinguished previous approaches many ways. First, strong attractions between metallic components, Fe and Al, non-metallic component, O, taken into account explicitly terms of Short-Range Ordering. Second, thermodynamic does not distinguish solvent solutes among model calculation can be applied Al. Therefore, this approach self-consistent, contrary interaction parameter formalism. Third, describes an integral Gibbs energy alloy framework CALPHAD; therefore, it further used develop a multicomponent database steel. Fourth, only small temperature-independent ternary was enough wide concentration (0.0027 < [pct Al] < 100) temperature [1823 K 2139 K (1550 °C 1866 °C)]. energies Fe-O Al-O binary solutions at metal-rich region (up oxide saturation) modeled, relevant parameters optimized. By merging these descriptions with that Fe-Al by same approach, Fe-Al-O solution obtained along one parameter. It shown successfully reproduced all available experimental data equilibria. Limit previously formalism high discussed.